Computational studies of transport in ion channels using metadynamics.

Molecular dynamics simulations have played a fundamental role in numerous fields of science by providing insights into the structure and dynamics of complex systems at the atomistic level. However, exhaustive sampling by standard molecular dynamics is in most cases computationally prohibitive, and t...

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Bibliographic Details
Main Authors: Furini, S, Domene, C
Format: Journal article
Language:English
Published: Elsevier 2016